2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

C17H16FN3O2S — CID 86266357

IUPAC2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H16FN3O2S/c18-14-3-1-2-4-16(14)23-11-17(22)19-7-9-21-8-5-15(20-21)13-6-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,19,22)
InChIKeyQYCLATJAWSZDBO-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.95
Rot. Bonds7

About 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide

2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 86266357) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID86266357
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(COc1ccccc1F)NCCn1ccc(-c2ccsc2)n1
InChIInChI=1S/C17H16FN3O2S/c18-14-3-1-2-4-16(14)23-11-17(22)19-7-9-21-8-5-15(20-21)13-6-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,19,22)
InChIKeyQYCLATJAWSZDBO-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide (CID 86266357) is 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is O=C(COc1ccccc1F)NCCn1ccc(-c2ccsc2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is QYCLATJAWSZDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-14-3-1-2-4-16(14)23-11-17(22)19-7-9-21-8-5-15(20-21)13-6-10-24-12-13/h1-6,8,10,12H,7,9,11H2,(H,19,22).
What are the key properties of 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide?
2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 86266357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).